SCHEMBL7919398

SCHEMBL7919398

C#CC(=O)O[Ti]1(OC(=O)C#C)C2c3ccccc3-c3cccc(c32)Cc2cccc3c2C1c1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7930914 0.93 ACHE (0.31) POLB
SCHEMBL7928647 0.83 POLB (0.42) HTR2AHDAC4HDAC7HDAC5KDM4E
SCHEMBL7927133 0.81 POLB (0.33) POLB
SCHEMBL7924812 0.81 HTR2A (0.35) HTR2AHDAC4HDAC7HDAC5KDM4E
SCHEMBL7924685 0.81 SRD5A2 (0.35) HTR2AHDAC4HDAC7HDAC5KDM4E
SCHEMBL7919140 0.80 ALDH1A1 (0.32) HTR2AHDAC4HDAC7HDAC5POLB
SCHEMBL7928527 0.80 HTR2A (0.37) HTR2AHDAC4HDAC7HDAC5RAB9A
SCHEMBL7928440 0.79 ALDH1A1 (0.40) HTR2ARAB9APOLB
SCHEMBL7919471 0.79 POLB (0.35) HTR2AHDAC4HDAC7HDAC5KDM4E
SCHEMBL7925772 0.78 KCNN4 (0.36) HTR2AHDAC4HDAC7HDAC5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed